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>> 25 //
>> 26 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
25 27
26 // 09-07-98, data moved from G4Material, M.Mai 28 // 09-07-98, data moved from G4Material, M.Maire
27 // 18-07-98, bug corrected in ComputeDensityEf 29 // 18-07-98, bug corrected in ComputeDensityEffect() for gas
28 // 16-01-01, bug corrected in ComputeDensityEf 30 // 16-01-01, bug corrected in ComputeDensityEffect() E100eV (L.Urban)
29 // 08-02-01, fShellCorrectionVector correctly 31 // 08-02-01, fShellCorrectionVector correctly handled (mma)
30 // 28-10-02, add setMeanExcitationEnergy (V.Iv 32 // 28-10-02, add setMeanExcitationEnergy (V.Ivanchenko)
31 // 06-09-04, factor 2 to shell correction term << 33 // 06-09-04, factor 2 to shell correction term (V.Ivanchenko)
32 // 10-05-05, add a missing coma in FindMeanExc 34 // 10-05-05, add a missing coma in FindMeanExcitationEnergy() - Bug#746 (mma)
33 // 27-09-07, add computation of parameters for 35 // 27-09-07, add computation of parameters for ions (V.Ivanchenko)
34 // 04-03-08, remove reference to G4NistManager 36 // 04-03-08, remove reference to G4NistManager. Add fBirks constant (mma)
35 // 30-10-09, add G4DensityEffectData class and 37 // 30-10-09, add G4DensityEffectData class and density effect computation (VI)
36 38
37 #include "G4IonisParamMat.hh" << 39 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
38 40
39 #include "G4AtomicShells.hh" << 41 #include "G4IonisParamMat.hh"
40 #include "G4AutoLock.hh" <<
41 #include "G4DensityEffectData.hh" <<
42 #include "G4Exp.hh" <<
43 #include "G4Log.hh" <<
44 #include "G4Material.hh" 42 #include "G4Material.hh"
>> 43 #include "G4DensityEffectData.hh"
>> 44 #include "G4DensityEffectCalculator.hh"
>> 45 #include "G4AtomicShells.hh"
45 #include "G4NistManager.hh" 46 #include "G4NistManager.hh"
46 #include "G4PhysicalConstants.hh" <<
47 #include "G4Pow.hh" 47 #include "G4Pow.hh"
>> 48 #include "G4PhysicalConstants.hh"
48 #include "G4SystemOfUnits.hh" 49 #include "G4SystemOfUnits.hh"
49 50
50 G4DensityEffectData* G4IonisParamMat::fDensity 51 G4DensityEffectData* G4IonisParamMat::fDensityData = nullptr;
51 52
52 namespace << 53 #ifdef G4MULTITHREADED
53 { << 54 G4Mutex G4IonisParamMat::ionisMutex = G4MUTEX_INITIALIZER;
54 G4Mutex ionisMutex = G4MUTEX_INITIALIZER; << 55 #endif
55 } <<
56 56
57 //....oooOO0OOooo........oooOO0OOooo........oo 57 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
58 58
59 G4IonisParamMat::G4IonisParamMat(const G4Mater << 59 G4IonisParamMat::G4IonisParamMat(const G4Material* material)
>> 60 : fMaterial(material)
60 { 61 {
61 fBirks = 0.; 62 fBirks = 0.;
62 fMeanEnergyPerIon = 0.0; 63 fMeanEnergyPerIon = 0.0;
63 twoln10 = 2. * G4Pow::GetInstance()->logZ(10 << 64 twoln10 = 2.*G4Pow::GetInstance()->logZ(10);
64 65
65 // minimal set of default parameters for den 66 // minimal set of default parameters for density effect
66 fCdensity = 0.0; 67 fCdensity = 0.0;
67 fD0density = 0.0; 68 fD0density = 0.0;
68 fAdjustmentFactor = 1.0; 69 fAdjustmentFactor = 1.0;
69 if (fDensityData == nullptr) { << 70 if(fDensityData == nullptr) { fDensityData = new G4DensityEffectData(); }
70 fDensityData = new G4DensityEffectData(); <<
71 } <<
72 fDensityEffectCalc = nullptr; 71 fDensityEffectCalc = nullptr;
73 72
74 // compute parameters 73 // compute parameters
75 ComputeMeanParameters(); 74 ComputeMeanParameters();
76 ComputeDensityEffectParameters(); 75 ComputeDensityEffectParameters();
77 ComputeFluctModel(); 76 ComputeFluctModel();
78 ComputeIonParameters(); 77 ComputeIonParameters();
79 } 78 }
80 79
81 //....oooOO0OOooo........oooOO0OOooo........oo 80 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
82 81
83 G4IonisParamMat::~G4IonisParamMat() << 82 // Fake default constructor - sets only member data and allocates memory
>> 83 // for usage restricted to object persistency
>> 84
>> 85 G4IonisParamMat::G4IonisParamMat(__void__&)
>> 86 : fMaterial(nullptr), fShellCorrectionVector(nullptr)
84 { 87 {
85 delete fDensityEffectCalc; << 88 fMeanExcitationEnergy = 0.0;
86 delete[] fShellCorrectionVector; << 89 fLogMeanExcEnergy = 0.0;
87 delete fDensityData; << 90 fTaul = 0.0;
88 fDensityData = nullptr; << 91 fCdensity = 0.0;
89 fShellCorrectionVector = nullptr; << 92 fMdensity = 0.0;
>> 93 fAdensity = 0.0;
>> 94 fX0density = 0.0;
>> 95 fX1density = 0.0;
>> 96 fD0density = 0.0;
>> 97 fPlasmaEnergy = 0.0;
>> 98 fAdjustmentFactor = 0.0;
>> 99 fF1fluct = 0.0;
>> 100 fF2fluct = 0.0;
>> 101 fEnergy1fluct = 0.0;
>> 102 fLogEnergy1fluct = 0.0;
>> 103 fEnergy2fluct = 0.0;
>> 104 fLogEnergy2fluct = 0.0;
>> 105 fEnergy0fluct = 0.0;
>> 106 fRateionexcfluct = 0.0;
>> 107 fZeff = 0.0;
>> 108 fFermiEnergy = 0.0;
>> 109 fLfactor = 0.0;
>> 110 fInvA23 = 0.0;
>> 111 fBirks = 0.0;
>> 112 fMeanEnergyPerIon = 0.0;
>> 113 twoln10 = 2.*G4Pow::GetInstance()->logZ(10);
>> 114
90 fDensityEffectCalc = nullptr; 115 fDensityEffectCalc = nullptr;
>> 116 if(fDensityData == nullptr) { fDensityData = new G4DensityEffectData(); }
91 } 117 }
92 118
93 //....oooOO0OOooo........oooOO0OOooo........oo 119 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
94 120
95 G4double G4IonisParamMat::GetDensityCorrection << 121 G4IonisParamMat::~G4IonisParamMat()
96 { 122 {
97 // x = log10(beta*gamma) << 123 delete fDensityEffectCalc;
98 G4double y = 0.0; << 124 delete [] fShellCorrectionVector;
99 if (x < fX0density) { << 125 delete fDensityData;
100 if (fD0density > 0.0) { << 126 fDensityData = nullptr;
101 y = fD0density * G4Exp(twoln10 * (x - fX << 127 fShellCorrectionVector = nullptr;
102 } << 128 fDensityEffectCalc = nullptr;
103 } <<
104 else if (x >= fX1density) { <<
105 y = twoln10 * x - fCdensity; <<
106 } <<
107 else { <<
108 y = twoln10 * x - fCdensity + fAdensity * <<
109 } <<
110 return y; <<
111 } 129 }
112 130
113 //....oooOO0OOooo........oooOO0OOooo........oo 131 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
114 132
115 void G4IonisParamMat::ComputeMeanParameters() 133 void G4IonisParamMat::ComputeMeanParameters()
116 { 134 {
117 // compute mean excitation energy and shell 135 // compute mean excitation energy and shell correction vector
118 fTaul = (*(fMaterial->GetElementVector()))[0 136 fTaul = (*(fMaterial->GetElementVector()))[0]->GetIonisation()->GetTaul();
119 137
120 std::size_t nElements = fMaterial->GetNumber << 138 fMeanExcitationEnergy = 0.;
>> 139 fLogMeanExcEnergy = 0.;
>> 140
>> 141 size_t nElements = fMaterial->GetNumberOfElements();
121 const G4ElementVector* elmVector = fMaterial 142 const G4ElementVector* elmVector = fMaterial->GetElementVector();
122 const G4double* nAtomsPerVolume = fMaterial- 143 const G4double* nAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume();
123 << 144
124 fMeanExcitationEnergy = FindMeanExcitationEn 145 fMeanExcitationEnergy = FindMeanExcitationEnergy(fMaterial);
125 fLogMeanExcEnergy = 0.; <<
126 146
127 // Chemical formula defines mean excitation 147 // Chemical formula defines mean excitation energy
128 if (fMeanExcitationEnergy > 0.0) { << 148 if(fMeanExcitationEnergy > 0.0) {
129 fLogMeanExcEnergy = G4Log(fMeanExcitationE 149 fLogMeanExcEnergy = G4Log(fMeanExcitationEnergy);
130 150
131 // Compute average << 151 // Compute average
132 } << 152 } else {
133 else { << 153 for (size_t i=0; i < nElements; i++) {
134 for (std::size_t i = 0; i < nElements; ++i <<
135 const G4Element* elm = (*elmVector)[i]; 154 const G4Element* elm = (*elmVector)[i];
136 fLogMeanExcEnergy += << 155 fLogMeanExcEnergy += nAtomsPerVolume[i]*elm->GetZ()
137 nAtomsPerVolume[i] * elm->GetZ() * G4L << 156 *G4Log(elm->GetIonisation()->GetMeanExcitationEnergy());
138 } 157 }
139 fLogMeanExcEnergy /= fMaterial->GetTotNbOf 158 fLogMeanExcEnergy /= fMaterial->GetTotNbOfElectPerVolume();
140 fMeanExcitationEnergy = G4Exp(fLogMeanExcE 159 fMeanExcitationEnergy = G4Exp(fLogMeanExcEnergy);
141 } 160 }
142 161
143 fShellCorrectionVector = new G4double[3]; << 162 fShellCorrectionVector = new G4double[3];
144 163
145 for (G4int j = 0; j <= 2; ++j) { << 164 for (G4int j=0; j<=2; j++)
>> 165 {
146 fShellCorrectionVector[j] = 0.; 166 fShellCorrectionVector[j] = 0.;
147 167
148 for (std::size_t k = 0; k < nElements; ++k << 168 for (size_t k=0; k<nElements; k++) {
149 fShellCorrectionVector[j] += << 169 fShellCorrectionVector[j] += nAtomsPerVolume[k]
150 nAtomsPerVolume[k] * (((*elmVector)[k] << 170 *(((*elmVector)[k])->GetIonisation()->GetShellCorrectionVector())[j];
151 } 171 }
152 fShellCorrectionVector[j] *= 2.0 / fMateri << 172 fShellCorrectionVector[j] *= 2.0/fMaterial->GetTotNbOfElectPerVolume();
153 } << 173 }
154 } 174 }
155 175
156 //....oooOO0OOooo........oooOO0OOooo........oo 176 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
157 177
158 G4DensityEffectData* G4IonisParamMat::GetDensi << 178 G4DensityEffectData* G4IonisParamMat::GetDensityEffectData()
>> 179 {
159 return fDensityData; 180 return fDensityData;
160 } 181 }
161 182
162 //....oooOO0OOooo........oooOO0OOooo........oo 183 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
163 184
>> 185 G4double G4IonisParamMat::DensityCorrection(G4double x)
>> 186 {
>> 187 return (!fDensityEffectCalc) ? GetDensityCorrection(x)
>> 188 : fDensityEffectCalc->ComputeDensityCorrection(x);
>> 189 }
>> 190
>> 191 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 192
164 void G4IonisParamMat::ComputeDensityEffectPara 193 void G4IonisParamMat::ComputeDensityEffectParameters()
165 { 194 {
166 G4State State = fMaterial->GetState(); 195 G4State State = fMaterial->GetState();
167 G4double density = fMaterial->GetDensity(); <<
168 196
169 // Check if density effect data exist in the 197 // Check if density effect data exist in the table
170 // R.M. Sternheimer, Atomic Data and Nuclear 198 // R.M. Sternheimer, Atomic Data and Nuclear Data Tables, 30: 261 (1984)
171 // or is assign to one of data set in this t 199 // or is assign to one of data set in this table
172 G4int idx = fDensityData->GetIndex(fMaterial 200 G4int idx = fDensityData->GetIndex(fMaterial->GetName());
173 auto nelm = (G4int)fMaterial->GetNumberOfEle << 201 G4int nelm= fMaterial->GetNumberOfElements();
174 G4int Z0 = ((*(fMaterial->GetElementVector() << 202 G4int Z0 = ((*(fMaterial->GetElementVector()))[0])->GetZasInt();
175 const G4Material* bmat = fMaterial->GetBaseM 203 const G4Material* bmat = fMaterial->GetBaseMaterial();
176 G4NistManager* nist = G4NistManager::Instanc 204 G4NistManager* nist = G4NistManager::Instance();
177 205
178 // arbitrary empirical limits << 206 // arbitrary empirical limits
179 // parameterisation with very different dens 207 // parameterisation with very different density is not applicable
180 static const G4double corrmax = 1.; 208 static const G4double corrmax = 1.;
181 static const G4double massfracmax = 0.9; 209 static const G4double massfracmax = 0.9;
182 210
183 // for simple non-NIST materials << 211 // for simple non-NIST materials
184 G4double corr = 0.0; 212 G4double corr = 0.0;
185 213
186 if (idx < 0 && 1 == nelm) { << 214 if(idx < 0 && 1 == nelm) {
187 G4int z = (1 == Z0 && State == kStateLiqui << 215 idx = fDensityData->GetElementIndex(Z0, fMaterial->GetState());
188 idx = fDensityData->GetElementIndex(z); <<
189 216
190 // Correction for base material or for non 217 // Correction for base material or for non-nominal density
191 // Except cases of very different density 218 // Except cases of very different density defined in user code
192 if (idx >= 0 && 0 < z) { << 219 if(idx >= 0) {
193 G4double dens = nist->GetNominalDensity( 220 G4double dens = nist->GetNominalDensity(Z0);
194 if (dens <= 0.0) { << 221 if(dens <= 0.0) { idx = -1; }
195 idx = -1; <<
196 } <<
197 else { 222 else {
198 corr = G4Log(dens / density); << 223 corr = G4Log(dens/fMaterial->GetDensity());
199 if (std::abs(corr) > corrmax) { <<
200 idx = -1; <<
201 } <<
202 } 224 }
>> 225 if(std::abs(corr) > corrmax) { idx = -1; }
203 } 226 }
204 } 227 }
205 // for base material case 228 // for base material case
206 if (idx < 0 && nullptr != bmat) { << 229 if(idx < 0 && bmat) {
207 idx = fDensityData->GetIndex(bmat->GetName 230 idx = fDensityData->GetIndex(bmat->GetName());
208 if (idx >= 0) { << 231 if(idx >= 0) {
209 corr = G4Log(bmat->GetDensity() / densit << 232 corr = G4Log(bmat->GetDensity()/fMaterial->GetDensity());
210 if (std::abs(corr) > corrmax) { << 233 if(std::abs(corr) > corrmax) { idx = -1; }
211 idx = -1; <<
212 } <<
213 } 234 }
214 } 235 }
215 236
216 // for compound non-NIST materials with one << 237 // for compound non-NIST materials with one element dominating
217 if (idx < 0 && 1 < nelm) { << 238 if(idx < 0 && 1 < nelm) {
218 const G4double tot = fMaterial->GetTotNbOf 239 const G4double tot = fMaterial->GetTotNbOfAtomsPerVolume();
219 for (G4int i = 0; i < nelm; ++i) { << 240 for(G4int i=0; i<nelm; ++i) {
220 const G4double frac = fMaterial->GetVecN << 241 const G4double frac = fMaterial->GetVecNbOfAtomsPerVolume()[i]/tot;
221 if (frac > massfracmax) { << 242 if(frac > massfracmax) {
222 Z0 = ((*(fMaterial->GetElementVector() 243 Z0 = ((*(fMaterial->GetElementVector()))[i])->GetZasInt();
223 idx = fDensityData->GetElementIndex(Z0 << 244 idx = fDensityData->GetElementIndex(Z0, fMaterial->GetState());
224 G4double dens = nist->GetNominalDensit << 245 G4double dens = nist->GetNominalDensity(Z0);
225 if (idx >= 0 && dens > 0.0) { << 246 if(idx >= 0 && dens > 0.0) {
226 corr = G4Log(dens / density); << 247 corr = G4Log(dens/fMaterial->GetDensity());
227 if (std::abs(corr) > corrmax) { << 248 if(std::abs(corr) > corrmax) { idx = -1; }
228 idx = -1; << 249 else { break; }
229 } << 250 }
230 else { <<
231 break; <<
232 } <<
233 } <<
234 } 251 }
235 } 252 }
236 } 253 }
>> 254 //G4cout<<"DensityEffect for "<<fMaterial->GetName()<<" "<< idx << G4endl;
>> 255
>> 256 if(idx >= 0) {
237 257
238 if (idx >= 0) { <<
239 // Take parameters for the density effect 258 // Take parameters for the density effect correction from
240 // R.M. Sternheimer et al. Density Effect << 259 // R.M. Sternheimer et al. Density Effect For The Ionization Loss
241 // of Charged Particles in Various Substan << 260 // of Charged Particles in Various Substances.
242 // Atom. Data Nucl. Data Tabl. 30 (1984) 2 << 261 // Atom. Data Nucl. Data Tabl. 30 (1984) 261-271.
243 << 262
244 fCdensity = fDensityData->GetCdensity(idx) << 263 fCdensity = fDensityData->GetCdensity(idx);
245 fMdensity = fDensityData->GetMdensity(idx) << 264 fMdensity = fDensityData->GetMdensity(idx);
246 fAdensity = fDensityData->GetAdensity(idx) << 265 fAdensity = fDensityData->GetAdensity(idx);
247 fX0density = fDensityData->GetX0density(id 266 fX0density = fDensityData->GetX0density(idx);
248 fX1density = fDensityData->GetX1density(id 267 fX1density = fDensityData->GetX1density(idx);
249 fD0density = fDensityData->GetDelta0densit 268 fD0density = fDensityData->GetDelta0density(idx);
250 fPlasmaEnergy = fDensityData->GetPlasmaEne 269 fPlasmaEnergy = fDensityData->GetPlasmaEnergy(idx);
251 fAdjustmentFactor = fDensityData->GetAdjus 270 fAdjustmentFactor = fDensityData->GetAdjustmentFactor(idx);
252 271
253 // parameter C is computed and not taken f 272 // parameter C is computed and not taken from Sternheimer tables
254 // fCdensity = 1. + 2*G4Log(fMeanExcitatio << 273 //fCdensity = 1. + 2*G4Log(fMeanExcitationEnergy/fPlasmaEnergy);
255 // G4cout << "IonisParamMat: " << fMateria << 274 //G4cout << "IonisParamMat: " << fMaterial->GetName()
256 // << " Cst= " << Cdensity << " C= " 275 // << " Cst= " << Cdensity << " C= " << fCdensity << G4endl;
257 276
258 // correction on nominal density 277 // correction on nominal density
259 fCdensity += corr; << 278 fCdensity += corr;
260 fX0density += corr / twoln10; << 279 fX0density += corr/twoln10;
261 fX1density += corr / twoln10; << 280 fX1density += corr/twoln10;
262 } << 281
263 else { << 282 } else {
264 static const G4double Cd2 = 4 * CLHEP::pi << 283
265 fPlasmaEnergy = std::sqrt(Cd2 * fMaterial- << 284 static const G4double Cd2 = 4*pi*hbarc_squared*classic_electr_radius;
>> 285 fPlasmaEnergy = std::sqrt(Cd2*fMaterial->GetTotNbOfElectPerVolume());
266 286
267 // Compute parameters for the density effe 287 // Compute parameters for the density effect correction in DE/Dx formula.
268 // The parametrization is from R.M. Sternh 288 // The parametrization is from R.M. Sternheimer, Phys. Rev.B,3:3681 (1971)
269 G4int icase; 289 G4int icase;
270 << 290
271 fCdensity = 1. + 2 * G4Log(fMeanExcitation << 291 fCdensity = 1. + 2*G4Log(fMeanExcitationEnergy/fPlasmaEnergy);
272 // 292 //
273 // condensed materials 293 // condensed materials
274 // << 294 //
275 if ((State == kStateSolid) || (State == kS << 295 if ((State == kStateSolid)||(State == kStateLiquid)) {
276 static const G4double E100eV = 100. * CL <<
277 static const G4double ClimiS[] = {3.681, <<
278 static const G4double X0valS[] = {1.0, 1 <<
279 static const G4double X1valS[] = {2.0, 3 <<
280 <<
281 if (fMeanExcitationEnergy < E100eV) { <<
282 icase = 0; <<
283 } <<
284 else { <<
285 icase = 1; <<
286 } <<
287 <<
288 if (fCdensity < ClimiS[icase]) { <<
289 fX0density = 0.2; <<
290 } <<
291 else { <<
292 fX0density = 0.326 * fCdensity - X0val <<
293 } <<
294 296
295 fX1density = X1valS[icase]; << 297 static const G4double E100eV = 100.*eV;
296 fMdensity = 3.0; << 298 static const G4double ClimiS[] = {3.681 , 5.215 };
297 << 299 static const G4double X0valS[] = {1.0 , 1.5 };
298 // special: Hydrogen << 300 static const G4double X1valS[] = {2.0 , 3.0 };
>> 301
>> 302 if(fMeanExcitationEnergy < E100eV) { icase = 0; }
>> 303 else { icase = 1; }
>> 304
>> 305 if(fCdensity < ClimiS[icase]) { fX0density = 0.2; }
>> 306 else { fX0density = 0.326*fCdensity - X0valS[icase]; }
>> 307
>> 308 fX1density = X1valS[icase]; fMdensity = 3.0;
>> 309
>> 310 //special: Hydrogen
299 if (1 == nelm && 1 == Z0) { 311 if (1 == nelm && 1 == Z0) {
300 fX0density = 0.425; << 312 fX0density = 0.425; fX1density = 2.0; fMdensity = 5.949;
301 fX1density = 2.0; <<
302 fMdensity = 5.949; <<
303 } 313 }
304 } << 314 } else {
305 else { <<
306 // 315 //
307 // gases 316 // gases
308 // 317 //
309 fMdensity = 3.; 318 fMdensity = 3.;
310 fX1density = 4.0; 319 fX1density = 4.0;
311 << 320 if(fCdensity < 10.) {
312 if (fCdensity <= 10.) { << 321 fX0density = 1.6;
313 fX0density = 1.6; << 322 } else if(fCdensity < 11.5) {
314 } << 323 fX0density = 1.6 + 0.2*(fCdensity - 10.);
315 else if (fCdensity <= 10.5) { << 324 } else if(fCdensity < 12.25) {
316 fX0density = 1.7; << 325 fX0density = 1.9 + (fCdensity - 11.5)/7.5;
317 } << 326 } else if(fCdensity < 13.804) {
318 else if (fCdensity <= 11.0) { << 327 fX0density = 2.0;
319 fX0density = 1.8; << 328 fX1density = 4.0 + (fCdensity - 12.25)/1.554;
320 } << 329 } else {
321 else if (fCdensity <= 11.5) { << 330 fX0density = 0.326*fCdensity-2.5; fX1density = 5.0;
322 fX0density = 1.9; <<
323 } 331 }
324 else if (fCdensity <= 12.25) { << 332
325 fX0density = 2.0; << 333 //special: Hydrogen
326 } <<
327 else if (fCdensity <= 13.804) { <<
328 fX0density = 2.0; <<
329 fX1density = 5.0; <<
330 } <<
331 else { <<
332 fX0density = 0.326 * fCdensity - 2.5; <<
333 fX1density = 5.0; <<
334 } <<
335 <<
336 // special: Hydrogen <<
337 if (1 == nelm && 1 == Z0) { 334 if (1 == nelm && 1 == Z0) {
338 fX0density = 1.837; << 335 fX0density = 1.837; fX1density = 3.0; fMdensity = 4.754;
339 fX1density = 3.0; <<
340 fMdensity = 4.754; <<
341 } 336 }
342 << 337
343 // special: Helium << 338 //special: Helium
344 if (1 == nelm && 2 == Z0) { 339 if (1 == nelm && 2 == Z0) {
345 fX0density = 2.191; << 340 fX0density = 2.191; fX1density = 3.0; fMdensity = 3.297;
346 fX1density = 3.0; <<
347 fMdensity = 3.297; <<
348 } 341 }
349 } 342 }
350 } 343 }
351 344
352 // change parameters if the gas is not in ST 345 // change parameters if the gas is not in STP.
353 // For the correction the density(STP) is ne << 346 // For the correction the density(STP) is needed.
354 // Density(STP) is calculated here : << 347 // Density(STP) is calculated here :
355 << 348
356 if (State == kStateGas) { << 349 if (State == kStateGas) {
>> 350 G4double Density = fMaterial->GetDensity();
357 G4double Pressure = fMaterial->GetPressure 351 G4double Pressure = fMaterial->GetPressure();
358 G4double Temp = fMaterial->GetTemperature( << 352 G4double Temp = fMaterial->GetTemperature();
359 << 353
360 G4double DensitySTP = density * STP_Pressu << 354 G4double DensitySTP = Density*STP_Pressure*Temp/(Pressure*NTP_Temperature);
361 << 355
362 G4double ParCorr = G4Log(density / Density << 356 G4double ParCorr = G4Log(Density/DensitySTP);
363 << 357
364 fCdensity -= ParCorr; << 358 fCdensity -= ParCorr;
365 fX0density -= ParCorr / twoln10; << 359 fX0density -= ParCorr/twoln10;
366 fX1density -= ParCorr / twoln10; << 360 fX1density -= ParCorr/twoln10;
367 } << 361 }
368 << 362
369 // fAdensity parameter can be fixed for not << 363 // fAdensity parameter can be fixed for not conductive materials
370 if (0.0 == fD0density) { << 364 if(0.0 == fD0density) {
371 G4double Xa = fCdensity / twoln10; << 365 G4double Xa = fCdensity/twoln10;
372 fAdensity = twoln10 * (Xa - fX0density) / << 366 fAdensity = twoln10*(Xa-fX0density)
373 } << 367 /std::pow((fX1density-fX0density),fMdensity);
>> 368 }
>> 369 /*
>> 370 G4cout << "G4IonisParamMat: density effect data for <"
>> 371 << fMaterial->GetName()
>> 372 << "> " << G4endl;
>> 373 G4cout << "Eplasma(eV)= " << fPlasmaEnergy/eV
>> 374 << " rho= " << fAdjustmentFactor
>> 375 << " -C= " << fCdensity
>> 376 << " x0= " << fX0density
>> 377 << " x1= " << fX1density
>> 378 << " a= " << fAdensity
>> 379 << " m= " << fMdensity
>> 380 << G4endl;
>> 381 */
374 } 382 }
375 383
376 //....oooOO0OOooo........oooOO0OOooo........oo 384 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
377 385
378 void G4IonisParamMat::ComputeFluctModel() 386 void G4IonisParamMat::ComputeFluctModel()
379 { 387 {
380 // compute parameters for the energy loss fl 388 // compute parameters for the energy loss fluctuation model
381 // needs an 'effective Z' << 389 // needs an 'effective Z'
382 G4double Zeff = 0.; 390 G4double Zeff = 0.;
383 for (std::size_t i = 0; i < fMaterial->GetNu << 391 for (size_t i=0; i<fMaterial->GetNumberOfElements(); ++i) {
384 Zeff += (fMaterial->GetFractionVector())[i << 392 Zeff += (fMaterial->GetFractionVector())[i]
385 } << 393 *((*(fMaterial->GetElementVector()))[i]->GetZ());
386 if (Zeff > 2.1) { << 394 }
387 fF2fluct = 2.0 / Zeff; << 395 fF2fluct = (Zeff > 2.) ? 2./Zeff : 0.0;
388 fF1fluct = 1. - fF2fluct; << 396
389 fEnergy2fluct = 10. * Zeff * Zeff * CLHEP: << 397 fF1fluct = 1. - fF2fluct;
390 fLogEnergy2fluct = G4Log(fEnergy2fluct); << 398 fEnergy2fluct = 10.*Zeff*Zeff*eV;
391 fLogEnergy1fluct = (fLogMeanExcEnergy - fF << 399 fLogEnergy2fluct = G4Log(fEnergy2fluct);
392 } else if (Zeff > 1.1) { << 400 fLogEnergy1fluct = (fLogMeanExcEnergy - fF2fluct*fLogEnergy2fluct)
393 fF2fluct = 0.0; << 401 /fF1fluct;
394 fF1fluct = 1.0; << 402 fEnergy1fluct = G4Exp(fLogEnergy1fluct);
395 fEnergy2fluct = 40. * CLHEP::eV; << 403 fEnergy0fluct = 10.*eV;
396 fLogEnergy2fluct = G4Log(fEnergy2fluct); <<
397 fLogEnergy1fluct = fLogMeanExcEnergy; <<
398 } else { <<
399 fF2fluct = 0.0; <<
400 fF1fluct = 1.0; <<
401 fEnergy2fluct = 10. * CLHEP::eV; <<
402 fLogEnergy2fluct = G4Log(fEnergy2fluct); <<
403 fLogEnergy1fluct = fLogMeanExcEnergy; <<
404 } <<
405 fEnergy1fluct = G4Exp(fLogEnergy1fluct); <<
406 fEnergy0fluct = 10. * CLHEP::eV; <<
407 fRateionexcfluct = 0.4; 404 fRateionexcfluct = 0.4;
408 } 405 }
409 406
410 //....oooOO0OOooo........oooOO0OOooo........oo 407 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
411 408
412 void G4IonisParamMat::ComputeIonParameters() 409 void G4IonisParamMat::ComputeIonParameters()
413 { 410 {
414 // get elements in the actual material, 411 // get elements in the actual material,
415 const G4ElementVector* theElementVector = fM << 412 const G4ElementVector* theElementVector = fMaterial->GetElementVector() ;
416 const G4double* theAtomicNumDensityVector = << 413 const G4double* theAtomicNumDensityVector =
417 const auto NumberOfElements = (G4int)fMateri << 414 fMaterial->GetAtomicNumDensityVector() ;
>> 415 const G4int NumberOfElements = fMaterial->GetNumberOfElements() ;
418 416
419 // loop for the elements in the material 417 // loop for the elements in the material
420 // to find out average values Z, vF, lF 418 // to find out average values Z, vF, lF
421 G4double z(0.0), vF(0.0), lF(0.0), a23(0.0); 419 G4double z(0.0), vF(0.0), lF(0.0), a23(0.0);
422 420
423 G4Pow* g4pow = G4Pow::GetInstance(); 421 G4Pow* g4pow = G4Pow::GetInstance();
424 if (1 == NumberOfElements) { << 422 if( 1 == NumberOfElements ) {
425 const G4Element* element = (*theElementVec 423 const G4Element* element = (*theElementVector)[0];
426 z = element->GetZ(); 424 z = element->GetZ();
427 vF = element->GetIonisation()->GetFermiVel << 425 vF= element->GetIonisation()->GetFermiVelocity();
428 lF = element->GetIonisation()->GetLFactor( << 426 lF= element->GetIonisation()->GetLFactor();
429 a23 = 1.0 / g4pow->A23(element->GetN()); << 427 a23 = 1.0/g4pow->A23(element->GetN());
430 } << 428
431 else { << 429 } else {
432 G4double norm(0.0); 430 G4double norm(0.0);
433 for (G4int iel = 0; iel < NumberOfElements << 431 for (G4int iel=0; iel<NumberOfElements; ++iel) {
434 const G4Element* element = (*theElementV 432 const G4Element* element = (*theElementVector)[iel];
435 const G4double weight = theAtomicNumDens 433 const G4double weight = theAtomicNumDensityVector[iel];
436 norm += weight; 434 norm += weight;
437 z += element->GetZ() * weight; << 435 z += element->GetZ() * weight;
438 vF += element->GetIonisation()->GetFermi << 436 vF += element->GetIonisation()->GetFermiVelocity() * weight;
439 lF += element->GetIonisation()->GetLFact << 437 lF += element->GetIonisation()->GetLFactor() * weight;
440 a23 += weight / g4pow->A23(element->GetN << 438 a23 += weight/g4pow->A23(element->GetN());
441 } << 439 }
442 if (norm > 0.0) { norm = 1.0/norm; } << 440 z /= norm;
443 z *= norm; << 441 vF /= norm;
444 vF *= norm; << 442 lF /= norm;
445 lF *= norm; << 443 a23 /= norm;
446 a23 *= norm; << 444 }
447 } << 445 fZeff = z;
448 fZeff = z; << 446 fLfactor = lF;
449 fLfactor = lF; << 447 fFermiEnergy = 25.*keV*vF*vF;
450 fFermiEnergy = 25. * CLHEP::keV * vF * vF; << 448 fInvA23 = a23;
451 fInvA23 = a23; <<
452 } 449 }
453 450
454 //....oooOO0OOooo........oooOO0OOooo........oo 451 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
455 452
456 void G4IonisParamMat::SetMeanExcitationEnergy( 453 void G4IonisParamMat::SetMeanExcitationEnergy(G4double value)
457 { 454 {
458 if (value == fMeanExcitationEnergy || value << 455 if(value == fMeanExcitationEnergy || value <= 0.0) { return; }
459 return; <<
460 } <<
461 if (G4NistManager::Instance()->GetVerbose() 456 if (G4NistManager::Instance()->GetVerbose() > 1) {
462 G4cout << "G4Material: Mean excitation ene << 457 G4cout << "G4Material: Mean excitation energy is changed for "
463 << " Iold= " << fMeanExcitationEner << 458 << fMaterial->GetName()
>> 459 << " Iold= " << fMeanExcitationEnergy/eV
>> 460 << "eV; Inew= " << value/eV << " eV;"
464 << G4endl; 461 << G4endl;
465 } 462 }
466 << 463
467 fMeanExcitationEnergy = value; 464 fMeanExcitationEnergy = value;
468 465
469 // add corrections to density effect 466 // add corrections to density effect
470 G4double newlog = G4Log(value); 467 G4double newlog = G4Log(value);
471 G4double corr = 2 * (newlog - fLogMeanExcEne << 468 G4double corr = 2*(newlog - fLogMeanExcEnergy);
472 fCdensity += corr; << 469 fCdensity += corr;
473 fX0density += corr / twoln10; << 470 fX0density += corr/twoln10;
474 fX1density += corr / twoln10; << 471 fX1density += corr/twoln10;
475 472
476 // recompute parameters of fluctuation model 473 // recompute parameters of fluctuation model
477 fLogMeanExcEnergy = newlog; 474 fLogMeanExcEnergy = newlog;
478 ComputeFluctModel(); 475 ComputeFluctModel();
479 } 476 }
480 477
481 //....oooOO0OOooo........oooOO0OOooo........oo 478 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
482 479
483 void G4IonisParamMat::SetDensityEffectParamete << 480 void G4IonisParamMat::SetDensityEffectParameters(G4double cd, G4double md,
484 G4double cd, G4double md, G4double ad, G4dou << 481 G4double ad, G4double x0,
485 { << 482 G4double x1, G4double d0)
486 // no check on consistence of user parameter << 483 {
487 G4AutoLock l(&ionisMutex); << 484 // no check on consistence of user parameters
488 fCdensity = cd; << 485 #ifdef G4MULTITHREADED
489 fMdensity = md; << 486 G4MUTEXLOCK(&ionisMutex);
490 fAdensity = ad; << 487 #endif
>> 488 fCdensity = cd;
>> 489 fMdensity = md;
>> 490 fAdensity = ad;
491 fX0density = x0; 491 fX0density = x0;
492 fX1density = x1; 492 fX1density = x1;
493 fD0density = d0; 493 fD0density = d0;
494 l.unlock(); << 494 #ifdef G4MULTITHREADED
>> 495 G4MUTEXUNLOCK(&ionisMutex);
>> 496 #endif
495 } 497 }
496 498
497 //....oooOO0OOooo........oooOO0OOooo........oo 499 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
498 500
499 void G4IonisParamMat::SetDensityEffectParamete 501 void G4IonisParamMat::SetDensityEffectParameters(const G4Material* bmat)
500 { 502 {
501 G4AutoLock l(&ionisMutex); << 503 #ifdef G4MULTITHREADED
>> 504 G4MUTEXLOCK(&ionisMutex);
>> 505 #endif
502 const G4IonisParamMat* ipm = bmat->GetIonisa 506 const G4IonisParamMat* ipm = bmat->GetIonisation();
503 fCdensity = ipm->GetCdensity(); << 507 fCdensity = ipm->GetCdensity();
504 fMdensity = ipm->GetMdensity(); << 508 fMdensity = ipm->GetMdensity();
505 fAdensity = ipm->GetAdensity(); << 509 fAdensity = ipm->GetAdensity();
506 fX0density = ipm->GetX0density(); 510 fX0density = ipm->GetX0density();
507 fX1density = ipm->GetX1density(); 511 fX1density = ipm->GetX1density();
508 fD0density = ipm->GetD0density(); 512 fD0density = ipm->GetD0density();
509 513
510 G4double corr = G4Log(bmat->GetDensity() / f << 514 G4double corr = G4Log(bmat->GetDensity()/fMaterial->GetDensity());
511 fCdensity += corr; << 515 fCdensity += corr;
512 fX0density += corr / twoln10; << 516 fX0density += corr/twoln10;
513 fX1density += corr / twoln10; << 517 fX1density += corr/twoln10;
514 l.unlock(); << 518 #ifdef G4MULTITHREADED
>> 519 G4MUTEXUNLOCK(&ionisMutex);
>> 520 #endif
515 } 521 }
516 522
517 //....oooOO0OOooo........oooOO0OOooo........oo 523 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
518 524
519 void G4IonisParamMat::ComputeDensityEffectOnFl 525 void G4IonisParamMat::ComputeDensityEffectOnFly(G4bool val)
520 { 526 {
521 if (val) { << 527 if(val) {
522 if (nullptr == fDensityEffectCalc) { << 528 if(!fDensityEffectCalc) {
523 G4int n = 0; 529 G4int n = 0;
524 for (std::size_t i = 0; i < fMaterial->G << 530 for(size_t i=0; i<fMaterial->GetNumberOfElements(); ++i) {
525 const G4int Z = fMaterial->GetElement( << 531 const G4int Z = fMaterial->GetElement(i)->GetZasInt();
526 n += G4AtomicShells::GetNumberOfShells 532 n += G4AtomicShells::GetNumberOfShells(Z);
527 } 533 }
528 // The last level is the conduction leve 534 // The last level is the conduction level. If this is *not* a conductor,
529 // make a dummy conductor level with zer 535 // make a dummy conductor level with zero electrons in it.
530 fDensityEffectCalc = new G4DensityEffect 536 fDensityEffectCalc = new G4DensityEffectCalculator(fMaterial, n);
531 } 537 }
532 } << 538 } else {
533 else { <<
534 delete fDensityEffectCalc; 539 delete fDensityEffectCalc;
535 fDensityEffectCalc = nullptr; 540 fDensityEffectCalc = nullptr;
536 } 541 }
537 } 542 }
538 543
539 //....oooOO0OOooo........oooOO0OOooo........oo 544 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
540 545
541 G4double G4IonisParamMat::FindMeanExcitationEn 546 G4double G4IonisParamMat::FindMeanExcitationEnergy(const G4Material* mat) const
542 { 547 {
543 G4double res = 0.0; 548 G4double res = 0.0;
544 // data from density effect data 549 // data from density effect data
545 if (fDensityData != nullptr) { << 550 if(fDensityData) {
546 G4int idx = fDensityData->GetIndex(mat->Ge 551 G4int idx = fDensityData->GetIndex(mat->GetName());
547 if (idx >= 0) { << 552 if(idx >= 0) {
548 res = fDensityData->GetMeanIonisationPot 553 res = fDensityData->GetMeanIonisationPotential(idx);
549 } 554 }
550 } 555 }
551 556
552 // The data on mean excitation energy for co 557 // The data on mean excitation energy for compaunds
553 // from "Stopping Powers for Electrons and P 558 // from "Stopping Powers for Electrons and Positrons"
554 // ICRU Report N#37, 1984 (energy in eV) 559 // ICRU Report N#37, 1984 (energy in eV)
555 // this value overwrites Density effect data 560 // this value overwrites Density effect data
556 G4String chFormula = mat->GetChemicalFormula 561 G4String chFormula = mat->GetChemicalFormula();
557 if (! chFormula.empty()) { << 562 if(chFormula != "") {
558 static const size_t numberOfMolecula = 54; << 563
559 // clang-format off << 564 static const size_t numberOfMolecula = 54;
560 static const G4String name[numberOfMolecul 565 static const G4String name[numberOfMolecula] = {
561 // gas 0 - 12 566 // gas 0 - 12
562 "NH_3", "C_4H_10", "CO_2", 567 "NH_3", "C_4H_10", "CO_2", "C_2H_6", "C_7H_16-Gas",
563 // "G4_AMMONIA", "G4_BUTANE","G4_CARBON_ 568 // "G4_AMMONIA", "G4_BUTANE","G4_CARBON_DIOXIDE","G4_ETHANE", "G4_N-HEPTANE"
564 "C_6H_14-Gas", "CH_4", "NO", 569 "C_6H_14-Gas", "CH_4", "NO", "N_2O", "C_8H_18-Gas",
565 // "G4_N-HEXANE" , "G4_METHANE", "x", "G 570 // "G4_N-HEXANE" , "G4_METHANE", "x", "G4_NITROUS_OXIDE", "G4_OCTANE"
566 "C_5H_12-Gas", "C_3H_8", "H_2O-Gas", 571 "C_5H_12-Gas", "C_3H_8", "H_2O-Gas",
567 // "G4_N-PENTANE", "G4_PROPANE", "G4_WAT 572 // "G4_N-PENTANE", "G4_PROPANE", "G4_WATER_VAPOR"
568 573
569 // liquid 13 - 39 574 // liquid 13 - 39
570 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", 575 "C_3H_6O", "C_6H_5NH_2", "C_6H_6", "C_4H_9OH", "CCl_4",
571 //"G4_ACETONE","G4_ANILINE","G4_BENZENE" << 576 //"G4_ACETONE","G4_ANILINE","G4_BENZENE","G4_N-BUTYL_ALCOHOL","G4_CARBON_TETRACHLORIDE"
572 "C_6H_5Cl", "CHCl_3", "C_6H_12", 577 "C_6H_5Cl", "CHCl_3", "C_6H_12", "C_6H_4Cl_2", "C_4Cl_2H_8O",
573 //"G4_CHLOROBENZENE","G4_CHLOROFORM","G4 578 //"G4_CHLOROBENZENE","G4_CHLOROFORM","G4_CYCLOHEXANE","G4_1,2-DICHLOROBENZENE",
574 //"G4_DICHLORODIETHYL_ETHER" 579 //"G4_DICHLORODIETHYL_ETHER"
575 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", 580 "C_2Cl_2H_4", "(C_2H_5)_2O", "C_2H_5OH", "C_3H_5(OH)_3","C_7H_16",
576 //"G4_1,2-DICHLOROETHANE","G4_DIETHYL_ET 581 //"G4_1,2-DICHLOROETHANE","G4_DIETHYL_ETHER","G4_ETHYL_ALCOHOL","G4_GLYCEROL","G4_N-HEPTANE"
577 "C_6H_14", "CH_3OH", "C_6H_5NO_2 582 "C_6H_14", "CH_3OH", "C_6H_5NO_2","C_5H_12", "C_3H_7OH",
578 //"G4_N-HEXANE","G4_METHANOL","G4_NITROB << 583 //"G4_N-HEXANE","G4_METHANOL","G4_NITROBENZENE","G4_N-PENTANE","G4_N-PROPYL_ALCOHOL",
579 "C_5H_5N", "C_8H_8", "C_2Cl_4", 584 "C_5H_5N", "C_8H_8", "C_2Cl_4", "C_7H_8", "C_2Cl_3H",
580 //"G4_PYRIDINE","G4_POLYSTYRENE","G4_TET 585 //"G4_PYRIDINE","G4_POLYSTYRENE","G4_TETRACHLOROETHYLENE","G4_TOLUENE","G4_TRICHLOROETHYLENE"
581 "H_2O", "C_8H_10", 586 "H_2O", "C_8H_10",
582 // "G4_WATER", "G4_XYLENE" 587 // "G4_WATER", "G4_XYLENE"
583 588
584 // solid 40 - 53 589 // solid 40 - 53
585 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO 590 "C_5H_5N_5", "C_5H_5N_5O", "(C_6H_11NO)-nylon", "C_25H_52",
586 // "G4_ADENINE", "G4_GUANINE", "G4_NYLON 591 // "G4_ADENINE", "G4_GUANINE", "G4_NYLON-6-6", "G4_PARAFFIN"
587 "(C_2H_4)-Polyethylene", "(C_5H_8O_2 592 "(C_2H_4)-Polyethylene", "(C_5H_8O_2)-Polymethil_Methacrylate",
588 // "G4_ETHYLENE", "G4_PLEXIGLASS" 593 // "G4_ETHYLENE", "G4_PLEXIGLASS"
589 "(C_8H_8)-Polystyrene", "A-150-tiss 594 "(C_8H_8)-Polystyrene", "A-150-tissue", "Al_2O_3", "CaF_2",
590 // "G4_POLYSTYRENE", "G4_A-150_TISSUE", 595 // "G4_POLYSTYRENE", "G4_A-150_TISSUE", "G4_ALUMINUM_OXIDE", "G4_CALCIUM_FLUORIDE"
591 "LiF", "Photo_Emulsion", "(C_2F_ 596 "LiF", "Photo_Emulsion", "(C_2F_4)-Teflon", "SiO_2"
592 // "G4_LITHIUM_FLUORIDE", "G4_PHOTO_EMUL 597 // "G4_LITHIUM_FLUORIDE", "G4_PHOTO_EMULSION", "G4_TEFLON", "G4_SILICON_DIOXIDE"
593 } ; 598 } ;
594 << 599
595 static const G4double meanExcitation[numbe 600 static const G4double meanExcitation[numberOfMolecula] = {
596 601
597 53.7, 48.3, 85.0, 45.4, 49.2, 602 53.7, 48.3, 85.0, 45.4, 49.2,
598 49.1, 41.7, 87.8, 84.9, 49.5, 603 49.1, 41.7, 87.8, 84.9, 49.5,
599 48.2, 47.1, 71.6, 604 48.2, 47.1, 71.6,
600 605
601 64.2, 66.2, 63.4, 59.9, 166.3, 606 64.2, 66.2, 63.4, 59.9, 166.3,
602 89.1, 156.0, 56.4, 106.5, 103.3, 607 89.1, 156.0, 56.4, 106.5, 103.3,
603 111.9, 60.0, 62.9, 72.6, 54.4, 608 111.9, 60.0, 62.9, 72.6, 54.4,
604 54.0, 67.6, 75.8, 53.6, 61.1, 609 54.0, 67.6, 75.8, 53.6, 61.1,
605 66.2, 64.0, 159.2, 62.5, 148.1, 610 66.2, 64.0, 159.2, 62.5, 148.1,
606 75.0, 61.8, 611 75.0, 61.8,
607 612
608 71.4, 75.0, 63.9, 48.3, 57.4, 613 71.4, 75.0, 63.9, 48.3, 57.4,
609 74.0, 68.7, 65.1, 145.2, 166., 614 74.0, 68.7, 65.1, 145.2, 166.,
610 94.0, 331.0, 99.1, 139.2 615 94.0, 331.0, 99.1, 139.2
611 }; 616 };
612 // clang-format on <<
613 617
614 for (std::size_t i = 0; i < numberOfMolecu << 618 for(size_t i=0; i<numberOfMolecula; i++) {
615 if (chFormula == name[i]) { << 619 if(chFormula == name[i]) {
616 res = meanExcitation[i] * CLHEP::eV; << 620 res = meanExcitation[i]*eV;
617 break; << 621 break;
618 } 622 }
619 } 623 }
620 } 624 }
621 return res; 625 return res;
622 } 626 }
>> 627
>> 628 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
>> 629
623 630